(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol

C12H22O2Si — CID 134895193

IUPAC(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol
SMILESC=C[C@@H](CCO)C(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-5-11(8-9-13)12(14)7-6-10-15(2,3)4/h5,11-14H,1,7-9H2,2-4H3/t11-,12?/m0/s1
InChIKeyRYZBTSMNTNVQKP-PXYINDEMSA-N
MW226.39 g/mol
LogP1.80
Rot. Bonds5

About (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol

(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol (PubChem CID 134895193) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol.

Molecular Properties

Compound Name(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol
PubChem CID134895193
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol
SMILESC=C[C@@H](CCO)C(O)CC#C[Si](C)(C)C
InChIInChI=1S/C12H22O2Si/c1-5-11(8-9-13)12(14)7-6-10-15(2,3)4/h5,11-14H,1,7-9H2,2-4H3/t11-,12?/m0/s1
InChIKeyRYZBTSMNTNVQKP-PXYINDEMSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
cis-(1S,2R)-2-[(Z)-2-trimethylsilylethenyl]cyclopentan-1-ol
CID 11344422
(3R,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523928
(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-1-en-4-ol
CID 71503861
(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-ol
CID 72793130
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-3-methylhex-5-yn-1-ol
CID 134848261
(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-ol
CID 134854744

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol?
The IUPAC name of (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol (CID 134895193) is (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol.
What is the SMILES notation for (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol?
The canonical SMILES for (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol is C=C[C@@H](CCO)C(O)CC#C[Si](C)(C)C.
What is the InChIKey of (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol?
The InChIKey is RYZBTSMNTNVQKP-PXYINDEMSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-5-11(8-9-13)12(14)7-6-10-15(2,3)4/h5,11-14H,1,7-9H2,2-4H3/t11-,12?/m0/s1.
What are the key properties of (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol?
(3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol has a molecular weight of 226.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-7-trimethylsilylhept-6-yne-1,4-diol is sourced from PubChem (CID 134895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).